(4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C17H25N5 — CID 97104162

IUPAC(4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@@H]2NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H25N5/c1-21-17-8-4-7-16(15(17)12-19-21)18-11-13-9-10-22(20-13)14-5-2-3-6-14/h9-10,12,14,16,18H,2-8,11H2,1H3/t16-/m0/s1
InChIKeyOFAGSNSEOLGYMA-INIZCTEOSA-N
MW299.42 g/mol
LogP2.90
Rot. Bonds4

About (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

(4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 97104162) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID97104162
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name(4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@@H]2NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H25N5/c1-21-17-8-4-7-16(15(17)12-19-21)18-11-13-9-10-22(20-13)14-5-2-3-6-14/h9-10,12,14,16,18H,2-8,11H2,1H3/t16-/m0/s1
InChIKeyOFAGSNSEOLGYMA-INIZCTEOSA-N
XLogP2.90
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 47350095
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 66414749
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953173
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 97104162) is (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCC[C@@H]2NCc1ccn(C2CCCC2)n1.
What is the InChIKey of (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is OFAGSNSEOLGYMA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N5/c1-21-17-8-4-7-16(15(17)12-19-21)18-11-13-9-10-22(20-13)14-5-2-3-6-14/h9-10,12,14,16,18H,2-8,11H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 299.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 97104162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).