N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine

C14H23N5 — CID 124932286

IUPACN-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
SMILESCC[C@H](C)n1nccc1CNCc1ccnn1CC
InChIInChI=1S/C14H23N5/c1-4-12(3)19-14(7-9-17-19)11-15-10-13-6-8-16-18(13)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeySHOXWPMWIBDGFY-LBPRGKRZSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds7

About N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine

N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine (PubChem CID 124932286) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
PubChem CID124932286
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
SMILESCC[C@H](C)n1nccc1CNCc1ccnn1CC
InChIInChI=1S/C14H23N5/c1-4-12(3)19-14(7-9-17-19)11-15-10-13-6-8-16-18(13)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeySHOXWPMWIBDGFY-LBPRGKRZSA-N
XLogP2.36
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 124932358
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 124932351
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
CID 122167258
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 124932342
1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 124932393
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 124932051
N-[(2-ethylpyrazol-3-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126964762
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine (CID 124932286) is N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine is CC[C@H](C)n1nccc1CNCc1ccnn1CC.
What is the InChIKey of N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
The InChIKey is SHOXWPMWIBDGFY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-12(3)19-14(7-9-17-19)11-15-10-13-6-8-16-18(13)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 124932286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).