1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine

C16H22N4S — CID 38058413

IUPAC1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1csc(-c2[nH]ncc2CNC[C@@H]2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H22N4S/c1-2-15(21-7-1)16-13(10-18-19-16)9-17-8-12-5-6-20(11-12)14-3-4-14/h1-2,7,10,12,14,17H,3-6,8-9,11H2,(H,18,19)/t12-/m0/s1
InChIKeyFVYIBSROUCZFGK-LBPRGKRZSA-N
MW302.45 g/mol
LogP2.71
Rot. Bonds6

About 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine

1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 38058413) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID38058413
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1csc(-c2[nH]ncc2CNC[C@@H]2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H22N4S/c1-2-15(21-7-1)16-13(10-18-19-16)9-17-8-12-5-6-20(11-12)14-3-4-14/h1-2,7,10,12,14,17H,3-6,8-9,11H2,(H,18,19)/t12-/m0/s1
InChIKeyFVYIBSROUCZFGK-LBPRGKRZSA-N
XLogP2.71
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 103699966
N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 56814850
1-(1-ethylpyrrolidin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233239
N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115575837
1-(1,4-dioxan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
CID 51086182
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
CID 83010094
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43233175
N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 103724288
3-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115733069
1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233210
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233196
4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanamide
CID 60863763

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (CID 38058413) is 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is c1csc(-c2[nH]ncc2CNC[C@@H]2CCN(C3CC3)C2)c1.
What is the InChIKey of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is FVYIBSROUCZFGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-15(21-7-1)16-13(10-18-19-16)9-17-8-12-5-6-20(11-12)14-3-4-14/h1-2,7,10,12,14,17H,3-6,8-9,11H2,(H,18,19)/t12-/m0/s1.
What are the key properties of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 302.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 38058413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).