5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

C19H21ClN4O — CID 139299152

IUPAC5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC(C)c1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C19H21ClN4O/c1-11(2)17-14(10-24(3)23-17)19(6-7-19)22-18(25)16-9-12-8-13(20)4-5-15(12)21-16/h4-5,8-11,21H,6-7H2,1-3H3,(H,22,25)
InChIKeyZQGOQQSTWYHYBB-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.10
Rot. Bonds4

About 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 139299152) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID139299152
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC(C)c1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C19H21ClN4O/c1-11(2)17-14(10-24(3)23-17)19(6-7-19)22-18(25)16-9-12-8-13(20)4-5-15(12)21-16/h4-5,8-11,21H,6-7H2,1-3H3,(H,22,25)
InChIKeyZQGOQQSTWYHYBB-UHFFFAOYSA-N
XLogP4.10
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 139299152) is 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is CC(C)c1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is ZQGOQQSTWYHYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-11(2)17-14(10-24(3)23-17)19(6-7-19)22-18(25)16-9-12-8-13(20)4-5-15(12)21-16/h4-5,8-11,21H,6-7H2,1-3H3,(H,22,25).
What are the key properties of 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 356.86 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 139299152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).