1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride

C12H17ClN4S — CID 120837427

IUPAC1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cn[nH]c2-c2ccsc2)C1
InChIInChI=1S/C12H16N4S.ClH/c13-11-1-3-16(7-11)6-10-5-14-15-12(10)9-2-4-17-8-9;/h2,4-5,8,11H,1,3,6-7,13H2,(H,14,15);1H
InChIKeyFUVWEUVQNOAXIS-UHFFFAOYSA-N
MW284.82 g/mol
LogP2.09
Rot. Bonds3

About 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride

1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120837427) has the molecular formula C12H17ClN4S and a molecular weight of 284.82 g/mol. Its IUPAC name is 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120837427
Molecular FormulaC12H17ClN4S
Molecular Weight284.82 g/mol
Exact Mass284.09
IUPAC Name1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cn[nH]c2-c2ccsc2)C1
InChIInChI=1S/C12H16N4S.ClH/c13-11-1-3-16(7-11)6-10-5-14-15-12(10)9-2-4-17-8-9;/h2,4-5,8,11H,1,3,6-7,13H2,(H,14,15);1H
InChIKeyFUVWEUVQNOAXIS-UHFFFAOYSA-N
XLogP2.09
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.82
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120840165
(3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120845541
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine
CID 120840166
2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120844166
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 167932124
4-[(2,2-dimethylazetidin-1-yl)methyl]-5-thiophen-3-yl-1H-pyrazole
CID 167761659
7-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 166288155
N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 139011250
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 39221504
N-methyl-N-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836456
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole
CID 45209601

Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120837427) is 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(Cc2cn[nH]c2-c2ccsc2)C1.
What is the InChIKey of 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is FUVWEUVQNOAXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S.ClH/c13-11-1-3-16(7-11)6-10-5-14-15-12(10)9-2-4-17-8-9;/h2,4-5,8,11H,1,3,6-7,13H2,(H,14,15);1H.
What are the key properties of 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride?
1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 284.82 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120837427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).