pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone

C17H22N8O2 — CID 169416219

IUPACpyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone
SMILESO=C(c1cn[nH]c1-n1cnnn1)N1CC[C@@H]2C[C@@H](C(=O)N3CCCC3)[C@@H]2C1
InChIInChI=1S/C17H22N8O2/c26-16(23-4-1-2-5-23)12-7-11-3-6-24(9-14(11)12)17(27)13-8-18-20-15(13)25-10-19-21-22-25/h8,10-12,14H,1-7,9H2,(H,18,20)/t11-,12-,14-/m1/s1
InChIKeyRVUJFUNIWKHAAQ-YRGRVCCFSA-N
MW370.42 g/mol
LogP0.11
Rot. Bonds3

About pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone

pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone (PubChem CID 169416219) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone
PubChem CID169416219
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Namepyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone
SMILESO=C(c1cn[nH]c1-n1cnnn1)N1CC[C@@H]2C[C@@H](C(=O)N3CCCC3)[C@@H]2C1
InChIInChI=1S/C17H22N8O2/c26-16(23-4-1-2-5-23)12-7-11-3-6-24(9-14(11)12)17(27)13-8-18-20-15(13)25-10-19-21-22-25/h8,10-12,14H,1-7,9H2,(H,18,20)/t11-,12-,14-/m1/s1
InChIKeyRVUJFUNIWKHAAQ-YRGRVCCFSA-N
XLogP0.11
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 91765551
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95554976
8-methyl-2-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50985022
[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95717775
[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 45210321
[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 99962130
1-[4-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]-2-thiophen-3-ylethanone
CID 137336857
4-benzyl-3-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-5-one
CID 56873090
[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 72892915
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95867712
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56902109
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 72859321

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone (CID 169416219) is pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone is O=C(c1cn[nH]c1-n1cnnn1)N1CC[C@@H]2C[C@@H](C(=O)N3CCCC3)[C@@H]2C1.
What is the InChIKey of pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone?
The InChIKey is RVUJFUNIWKHAAQ-YRGRVCCFSA-N. The full InChI is InChI=1S/C17H22N8O2/c26-16(23-4-1-2-5-23)12-7-11-3-6-24(9-14(11)12)17(27)13-8-18-20-15(13)25-10-19-21-22-25/h8,10-12,14H,1-7,9H2,(H,18,20)/t11-,12-,14-/m1/s1.
What are the key properties of pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone?
pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone has a molecular weight of 370.42 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone is sourced from PubChem (CID 169416219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).