N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine

C15H27N3O — CID 164637519

IUPACN-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(N[C@@H](CCC(C)C)C2CC2)cn1
InChIInChI=1S/C15H27N3O/c1-12(2)4-7-15(13-5-6-13)17-14-10-16-18(11-14)8-9-19-3/h10-13,15,17H,4-9H2,1-3H3/t15-/m0/s1
InChIKeyPBYHYIKPMJPHNS-HNNXBMFYSA-N
MW265.40 g/mol
LogP3.16
Rot. Bonds9

About N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 164637519) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID164637519
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(N[C@@H](CCC(C)C)C2CC2)cn1
InChIInChI=1S/C15H27N3O/c1-12(2)4-7-15(13-5-6-13)17-14-10-16-18(11-14)8-9-19-3/h10-13,15,17H,4-9H2,1-3H3/t15-/m0/s1
InChIKeyPBYHYIKPMJPHNS-HNNXBMFYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine
CID 75391259
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338511
1-(2-methoxyethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
CID 64753655
1-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
CID 64757185
1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
CID 64758479
N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 115921537
1-(2-methoxyethyl)-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine
CID 116534425
N-(1-(2-methoxyethyl)-1H-pyrazol-4-yl)-1-methylpiperidin-4-amine
CID 43728962
1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine
CID 43729119
1-(2-methoxyethyl)-N-methyl-1H-pyrazol-4-amine
CID 63091445
N-(2-methoxyethyl)-1-methyl-1H-pyrazol-4-amine
CID 79002095
N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine
CID 91063262

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 164637519) is N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(N[C@@H](CCC(C)C)C2CC2)cn1.
What is the InChIKey of N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is PBYHYIKPMJPHNS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)4-7-15(13-5-6-13)17-14-10-16-18(11-14)8-9-19-3/h10-13,15,17H,4-9H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-4-methylpentyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 164637519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).