(2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine

C17H23N5 — CID 95123160

IUPAC(2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
SMILESCc1ccc2c(c1)c(CN[C@@H](C)CCn1cccn1)nn2C
InChIInChI=1S/C17H23N5/c1-13-5-6-17-15(11-13)16(20-21(17)3)12-18-14(2)7-10-22-9-4-8-19-22/h4-6,8-9,11,14,18H,7,10,12H2,1-3H3/t14-/m0/s1
InChIKeySAGAKGVFUUFHGZ-AWEZNQCLSA-N
MW297.41 g/mol
LogP2.65
Rot. Bonds6

About (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine

(2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine (PubChem CID 95123160) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
PubChem CID95123160
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name(2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
SMILESCc1ccc2c(c1)c(CN[C@@H](C)CCn1cccn1)nn2C
InChIInChI=1S/C17H23N5/c1-13-5-6-17-15(11-13)16(20-21(17)3)12-18-14(2)7-10-22-9-4-8-19-22/h4-6,8-9,11,14,18H,7,10,12H2,1-3H3/t14-/m0/s1
InChIKeySAGAKGVFUUFHGZ-AWEZNQCLSA-N
XLogP2.65
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine
CID 50976005
1,3-dimethyl-5-[[[(2S)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]benzimidazol-2-one
CID 95132562
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 61459848
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
CID 63000923
(2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 99705994
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine (CID 95123160) is (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine is Cc1ccc2c(c1)c(CN[C@@H](C)CCn1cccn1)nn2C.
What is the InChIKey of (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine?
The InChIKey is SAGAKGVFUUFHGZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-5-6-17-15(11-13)16(20-21(17)3)12-18-14(2)7-10-22-9-4-8-19-22/h4-6,8-9,11,14,18H,7,10,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine?
(2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1,5-dimethylindazol-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95123160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).