1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine

C13H18N4S — CID 62138071

IUPAC1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C13H18N4S/c14-12-7-15-17(9-12)5-4-16(13-1-2-13)8-11-3-6-18-10-11/h3,6-7,9-10,13H,1-2,4-5,8,14H2
InChIKeyBVYQGZQOJXUSFI-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.19
Rot. Bonds6

About 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine

1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine (PubChem CID 62138071) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine
PubChem CID62138071
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C13H18N4S/c14-12-7-15-17(9-12)5-4-16(13-1-2-13)8-11-3-6-18-10-11/h3,6-7,9-10,13H,1-2,4-5,8,14H2
InChIKeyBVYQGZQOJXUSFI-UHFFFAOYSA-N
XLogP2.19
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine with MolForge

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Related Compounds

1-Methyl-3-(1-pyrazol-1-ylpropan-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 45831697
N,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 128973411
N-methyl-3-(1H-pyrazol-1-yl)-N-(3-thienylmethyl)propan-1-amine
CID 50967142
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(3-thienylmethyl)propan-2-amine
CID 50968678
1-(Thiophen-3-ylmethyl)pyrazole
CID 63812394
2-(4-methyl-1H-pyrazol-1-yl)thiophen-3-amine
CID 68784506
1-(1-Thiophen-3-ylethenyl)pyrazole
CID 102474620
1-methyl-N-thiophen-2-ylpyrazol-4-amine
CID 141361572
1-ethyl-N-thiophen-2-ylpyrazol-4-amine
CID 141361582

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine (CID 62138071) is 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine is Nc1cnn(CCN(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine?
The InChIKey is BVYQGZQOJXUSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c14-12-7-15-17(9-12)5-4-16(13-1-2-13)8-11-3-6-18-10-11/h3,6-7,9-10,13H,1-2,4-5,8,14H2.
What are the key properties of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine?
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine is sourced from PubChem (CID 62138071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).