2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride

C12H18ClN3S — CID 115606209

IUPAC2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
SMILESCCC(C)n1nccc1NCc1ccsc1.Cl
InChIInChI=1S/C12H17N3S.ClH/c1-3-10(2)15-12(4-6-14-15)13-8-11-5-7-16-9-11;/h4-7,9-10,13H,3,8H2,1-2H3;1H
InChIKeyKGKCNSDQCDPWLQ-UHFFFAOYSA-N
MW271.82 g/mol
LogP3.95
Rot. Bonds5

About 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride

2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride (PubChem CID 115606209) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
PubChem CID115606209
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
SMILESCCC(C)n1nccc1NCc1ccsc1.Cl
InChIInChI=1S/C12H17N3S.ClH/c1-3-10(2)15-12(4-6-14-15)13-8-11-5-7-16-9-11;/h4-7,9-10,13H,3,8H2,1-2H3;1H
InChIKeyKGKCNSDQCDPWLQ-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 124932342
2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine
CID 115702990
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 106757796
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 62902813
N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride
CID 126966578
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122166808

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride (CID 115606209) is 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride is CCC(C)n1nccc1NCc1ccsc1.Cl.
What is the InChIKey of 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride?
The InChIKey is KGKCNSDQCDPWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S.ClH/c1-3-10(2)15-12(4-6-14-15)13-8-11-5-7-16-9-11;/h4-7,9-10,13H,3,8H2,1-2H3;1H.
What are the key properties of 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride?
2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride has a molecular weight of 271.82 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 115606209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).