N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C17H23N5O — CID 56884693

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)c1cnn2c1CCCC2
InChIInChI=1S/C17H23N5O/c23-17(13-10-19-22-9-5-4-8-16(13)22)18-11-15-12-6-2-1-3-7-14(12)20-21-15/h10H,1-9,11H2,(H,18,23)(H,20,21)
InChIKeyBYGRDELGBJHIPL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.14
Rot. Bonds3

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 56884693) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID56884693
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)c1cnn2c1CCCC2
InChIInChI=1S/C17H23N5O/c23-17(13-10-19-22-9-5-4-8-16(13)22)18-11-15-12-6-2-1-3-7-14(12)20-21-15/h10H,1-9,11H2,(H,18,23)(H,20,21)
InChIKeyBYGRDELGBJHIPL-UHFFFAOYSA-N
XLogP2.14
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 50962184
5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 50977929
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 96405032
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-piperidin-2-yl-1H-pyrazole-4-carboxamide
CID 132365492
N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-5-piperidin-2-yl-1H-pyrazole-4-carboxamide
CID 132365508
(3-Ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 124205327
N-{[(2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 128989321
piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 146641232
(5R,11S)-5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155342729
5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155342828
(5R,11R)-5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155348580
ethane;13-methyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;1H-pyrazole
CID 155728028

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 56884693) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCc1n[nH]c2c1CCCCC2)c1cnn2c1CCCC2.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BYGRDELGBJHIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(13-10-19-22-9-5-4-8-16(13)22)18-11-15-12-6-2-1-3-7-14(12)20-21-15/h10H,1-9,11H2,(H,18,23)(H,20,21).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 56884693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).