1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride

C12H15ClFN3S — CID 126967016

IUPAC1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Fc1ccc(CNc2ccn(CC3CC3)n2)s1
InChIInChI=1S/C12H14FN3S.ClH/c13-11-4-3-10(17-11)7-14-12-5-6-16(15-12)8-9-1-2-9;/h3-6,9H,1-2,7-8H2,(H,14,15);1H
InChIKeyXSFZIKPUKZFYNH-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.53
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride

1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126967016) has the molecular formula C12H15ClFN3S and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride
PubChem CID126967016
Molecular FormulaC12H15ClFN3S
Molecular Weight287.79 g/mol
Exact Mass287.07
IUPAC Name1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Fc1ccc(CNc2ccn(CC3CC3)n2)s1
InChIInChI=1S/C12H14FN3S.ClH/c13-11-4-3-10(17-11)7-14-12-5-6-16(15-12)8-9-1-2-9;/h3-6,9H,1-2,7-8H2,(H,14,15);1H
InChIKeyXSFZIKPUKZFYNH-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride (CID 126967016) is 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride is Cl.Fc1ccc(CNc2ccn(CC3CC3)n2)s1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is XSFZIKPUKZFYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S.ClH/c13-11-4-3-10(17-11)7-14-12-5-6-16(15-12)8-9-1-2-9;/h3-6,9H,1-2,7-8H2,(H,14,15);1H.
What are the key properties of 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride?
1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126967016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).