N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide

C20H21N5O — CID 73292578

IUPACN-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(CC1)C2
InChIInChI=1S/C20H21N5O/c26-19(18-16-6-7-20(8-9-20)10-17(16)23-24-18)22-15-11-21-25(13-15)12-14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2,(H,22,26)(H,23,24)
InChIKeySTCNDRXGYAQSKS-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.18
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide

N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide (PubChem CID 73292578) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide
PubChem CID73292578
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(CC1)C2
InChIInChI=1S/C20H21N5O/c26-19(18-16-6-7-20(8-9-20)10-17(16)23-24-18)22-15-11-21-25(13-15)12-14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2,(H,22,26)(H,23,24)
InChIKeySTCNDRXGYAQSKS-UHFFFAOYSA-N
XLogP3.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide (CID 73292578) is N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(CC1)C2.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide?
The InChIKey is STCNDRXGYAQSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-19(18-16-6-7-20(8-9-20)10-17(16)23-24-18)22-15-11-21-25(13-15)12-14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2,(H,22,26)(H,23,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide?
N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-3-carboxamide is sourced from PubChem (CID 73292578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).