N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide

C16H20N4O — CID 104974145

IUPACN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2ccccc12)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H20N4O/c21-16(15-13-5-1-2-6-14(13)18-19-15)20(12-7-8-12)10-11-4-3-9-17-11/h1-2,5-6,11-12,17H,3-4,7-10H2,(H,18,19)
InChIKeySHTOCTKZXNBVOG-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.92
Rot. Bonds4

About N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide

N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 104974145) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID104974145
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2ccccc12)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H20N4O/c21-16(15-13-5-1-2-6-14(13)18-19-15)20(12-7-8-12)10-11-4-3-9-17-11/h1-2,5-6,11-12,17H,3-4,7-10H2,(H,18,19)
InChIKeySHTOCTKZXNBVOG-UHFFFAOYSA-N
XLogP1.92
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 106607449
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 106612562
N-ethyl-N-piperidin-4-yl-1H-indazole-3-carboxamide
CID 60805904
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083951
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083953
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 33345718
5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 104974058
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332
N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106599359

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide (CID 104974145) is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide is O=C(c1n[nH]c2ccccc12)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is SHTOCTKZXNBVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(15-13-5-1-2-6-14(13)18-19-15)20(12-7-8-12)10-11-4-3-9-17-11/h1-2,5-6,11-12,17H,3-4,7-10H2,(H,18,19).
What are the key properties of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide?
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 104974145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).