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

C12H13N5S — CID 54921126

IUPAC1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cn[nH]c2-c2cccs2)n1
InChIInChI=1S/C12H13N5S/c1-17-5-4-11(16-17)13-7-9-8-14-15-12(9)10-3-2-6-18-10/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyCYFRRQQVTWSWOD-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.48
Rot. Bonds4

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

1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 54921126) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID54921126
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cn[nH]c2-c2cccs2)n1
InChIInChI=1S/C12H13N5S/c1-17-5-4-11(16-17)13-7-9-8-14-15-12(9)10-3-2-6-18-10/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyCYFRRQQVTWSWOD-UHFFFAOYSA-N
XLogP2.48
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-({[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}amino)-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 9583951
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine
CID 24954962
N,N-diethyl-3-[[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methylamino]methyl]pyridin-2-amine
CID 30881870
4-[(3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 2815099
4-[(Z)-(3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 5714746
3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine
CID 53192655
3-(4-propyl-4H-1,2,4-triazol-3-yl)-1-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}piperidine
CID 53192759
1-phenyl-5-[5-(2-thienyl)-1H-pyrazol-4-yl]-1H-tetraazole
CID 822955
4-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 2815982
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 53510633
N-methyl-2-(1-methyl-1H-pyrazol-4-yl)-N-{[5-(1H-pyrazol-3-yl)-2-thienyl]methyl}ethanamine
CID 77088431
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea
CID 86781373

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine (CID 54921126) is 1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine is Cn1ccc(NCc2cn[nH]c2-c2cccs2)n1.
What is the InChIKey of 1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is CYFRRQQVTWSWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-17-5-4-11(16-17)13-7-9-8-14-15-12(9)10-3-2-6-18-10/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine?
1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 259.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 54921126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).