5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide

C18H19ClN4O — CID 73212934

IUPAC5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(Cl)[nH]n1)N(Cc1cccc2[nH]ccc12)CC1CCC1
InChIInChI=1S/C18H19ClN4O/c19-17-9-16(21-22-17)18(24)23(10-12-3-1-4-12)11-13-5-2-6-15-14(13)7-8-20-15/h2,5-9,12,20H,1,3-4,10-11H2,(H,21,22)
InChIKeyCISLGIZTSRLFTL-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.99
Rot. Bonds5

About 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide

5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 73212934) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID73212934
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(Cl)[nH]n1)N(Cc1cccc2[nH]ccc12)CC1CCC1
InChIInChI=1S/C18H19ClN4O/c19-17-9-16(21-22-17)18(24)23(10-12-3-1-4-12)11-13-5-2-6-15-14(13)7-8-20-15/h2,5-9,12,20H,1,3-4,10-11H2,(H,21,22)
InChIKeyCISLGIZTSRLFTL-UHFFFAOYSA-N
XLogP3.99
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide (CID 73212934) is 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide is O=C(c1cc(Cl)[nH]n1)N(Cc1cccc2[nH]ccc12)CC1CCC1.
What is the InChIKey of 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CISLGIZTSRLFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-17-9-16(21-22-17)18(24)23(10-12-3-1-4-12)11-13-5-2-6-15-14(13)7-8-20-15/h2,5-9,12,20H,1,3-4,10-11H2,(H,21,22).
What are the key properties of 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide?
5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 73212934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).