3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide

C21H19N5O — CID 97496745

IUPAC3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C21H19N5O/c27-21(19-11-18(25-26-19)13-5-4-10-22-12-13)24-17-9-3-7-15-14-6-1-2-8-16(14)23-20(15)17/h1-2,4-6,8,10-12,17,23H,3,7,9H2,(H,24,27)(H,25,26)/t17-/m0/s1
InChIKeyAPIMBLWQMWIZPR-KRWDZBQOSA-N
MW357.42 g/mol
LogP3.76
Rot. Bonds3

About 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide

3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide (PubChem CID 97496745) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide
PubChem CID97496745
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C21H19N5O/c27-21(19-11-18(25-26-19)13-5-4-10-22-12-13)24-17-9-3-7-15-14-6-1-2-8-16(14)23-20(15)17/h1-2,4-6,8,10-12,17,23H,3,7,9H2,(H,24,27)(H,25,26)/t17-/m0/s1
InChIKeyAPIMBLWQMWIZPR-KRWDZBQOSA-N
XLogP3.76
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide (CID 97496745) is 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is APIMBLWQMWIZPR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(19-11-18(25-26-19)13-5-4-10-22-12-13)24-17-9-3-7-15-14-6-1-2-8-16(14)23-20(15)17/h1-2,4-6,8,10-12,17,23H,3,7,9H2,(H,24,27)(H,25,26)/t17-/m0/s1.
What are the key properties of 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide?
3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97496745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).