(1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

C12H17N7O — CID 110196496

IUPAC(1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(c3nnnn3C)C2)cn1
InChIInChI=1S/C12H17N7O/c1-17-7-10(6-13-17)12(20)19-5-3-4-9(8-19)11-14-15-16-18(11)2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyIFLYJZHWSWPQKC-UHFFFAOYSA-N
MW275.32 g/mol
LogP-0.04
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196496) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196496
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name(1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(c3nnnn3C)C2)cn1
InChIInChI=1S/C12H17N7O/c1-17-7-10(6-13-17)12(20)19-5-3-4-9(8-19)11-14-15-16-18(11)2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyIFLYJZHWSWPQKC-UHFFFAOYSA-N
XLogP-0.04
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-Tert-butylpyrazol-4-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53551597
[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 72134900
(1-Ethylpyrazol-4-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72134902
(1-Tert-butylpyrazol-4-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72147024
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]piperidine
CID 118770556
[4-(4-Cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone
CID 136530027
1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70768570
(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1-ethylpyrazol-4-yl)methanone
CID 110244587
6-Methyl-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 163363445
5-[(1-Butyltetrazol-5-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 24471716
1-Methyl-5-[(1-propyltetrazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 24481475

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (CID 110196496) is (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCCC(c3nnnn3C)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is IFLYJZHWSWPQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-17-7-10(6-13-17)12(20)19-5-3-4-9(8-19)11-14-15-16-18(11)2/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 275.32 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).