N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

C21H24N4O — CID 97496950

IUPACN-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C21H24N4O/c26-21(20-15-8-2-1-3-11-17(15)24-25-20)23-18-12-6-9-14-13-7-4-5-10-16(13)22-19(14)18/h4-5,7,10,18,22H,1-3,6,8-9,11-12H2,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyNRXQIJVVAIAQPV-GOSISDBHSA-N
MW348.45 g/mol
LogP3.97
Rot. Bonds2

About N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 97496950) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID97496950
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C21H24N4O/c26-21(20-15-8-2-1-3-11-17(15)24-25-20)23-18-12-6-9-14-13-7-4-5-10-16(13)22-19(14)18/h4-5,7,10,18,22H,1-3,6,8-9,11-12H2,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyNRXQIJVVAIAQPV-GOSISDBHSA-N
XLogP3.97
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide with MolForge

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Related Compounds

3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide
CID 99755073
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide
CID 110207920
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide
CID 97496745
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide
CID 75489945
4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 121239141
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (CID 97496950) is N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1n[nH]c2c1CCCCC2.
What is the InChIKey of N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is NRXQIJVVAIAQPV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(20-15-8-2-1-3-11-17(15)24-25-20)23-18-12-6-9-14-13-7-4-5-10-16(13)22-19(14)18/h4-5,7,10,18,22H,1-3,6,8-9,11-12H2,(H,23,26)(H,24,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 97496950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).