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

C12H14FN3S — CID 122165722

IUPAC1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESFc1ccc(CNc2ccn(CC3CC3)n2)s1
InChIInChI=1S/C12H14FN3S/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)
InChIKeyFYVBPEAZBPCRIF-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.11
Rot. Bonds5

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

1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 122165722) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID122165722
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine
SMILESFc1ccc(CNc2ccn(CC3CC3)n2)s1
InChIInChI=1S/C12H14FN3S/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)
InChIKeyFYVBPEAZBPCRIF-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.11
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?
The IUPAC name of 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine (CID 122165722) is 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine is Fc1ccc(CNc2ccn(CC3CC3)n2)s1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is FYVBPEAZBPCRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/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).
What are the key properties of 1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine?
1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine has a molecular weight of 251.33 g/mol, XLogP of 3.11, 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 is sourced from PubChem (CID 122165722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).