(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine

C15H25N5 — CID 125434938

IUPAC(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine
SMILESCCn1ncc(CN[C@@H](C)CCn2ccnc2C)c1C
InChIInChI=1S/C15H25N5/c1-5-20-13(3)15(11-18-20)10-17-12(2)6-8-19-9-7-16-14(19)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3/t12-/m0/s1
InChIKeyAMOPVYZHOUXPGZ-LBPRGKRZSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds7

About (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine

(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine (PubChem CID 125434938) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine
PubChem CID125434938
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine
SMILESCCn1ncc(CN[C@@H](C)CCn2ccnc2C)c1C
InChIInChI=1S/C15H25N5/c1-5-20-13(3)15(11-18-20)10-17-12(2)6-8-19-9-7-16-14(19)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3/t12-/m0/s1
InChIKeyAMOPVYZHOUXPGZ-LBPRGKRZSA-N
XLogP2.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine with MolForge

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Related Compounds

4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-[1-[2-(1,4-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190592
2-N-[1-[2-(1,5-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190593
US11214565, Example D-23
CID 140943452
US11214565, Example D-3
CID 140943534
US11214565, Example D-205
CID 166595916
N-(1,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinamine
CID 134129122
US11214565, Example D-22
CID 135374253
US11214565, Example D-2
CID 135374259
US11214565, Example D-137
CID 135374441
US11214565, Example D-24
CID 135374448

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The IUPAC name of (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine (CID 125434938) is (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine.
What is the SMILES notation for (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The canonical SMILES for (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine is CCn1ncc(CN[C@@H](C)CCn2ccnc2C)c1C.
What is the InChIKey of (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The InChIKey is AMOPVYZHOUXPGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-20-13(3)15(11-18-20)10-17-12(2)6-8-19-9-7-16-14(19)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine is sourced from PubChem (CID 125434938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).