5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine

C14H18FN3S — CID 122165787

IUPAC5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine
SMILESCCCn1nc(NCc2ccc(F)s2)cc1C1CC1
InChIInChI=1S/C14H18FN3S/c1-2-7-18-12(10-3-4-10)8-14(17-18)16-9-11-5-6-13(15)19-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyRBKIFMRZMYVTTL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.98
Rot. Bonds6

About 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine

5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine (PubChem CID 122165787) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine
PubChem CID122165787
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine
SMILESCCCn1nc(NCc2ccc(F)s2)cc1C1CC1
InChIInChI=1S/C14H18FN3S/c1-2-7-18-12(10-3-4-10)8-14(17-18)16-9-11-5-6-13(15)19-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyRBKIFMRZMYVTTL-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine?
The IUPAC name of 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine (CID 122165787) is 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine?
The canonical SMILES for 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine is CCCn1nc(NCc2ccc(F)s2)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine?
The InChIKey is RBKIFMRZMYVTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-2-7-18-12(10-3-4-10)8-14(17-18)16-9-11-5-6-13(15)19-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,17).
What are the key properties of 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine?
5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine has a molecular weight of 279.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(5-fluorothiophen-2-yl)methyl]-1-propylpyrazol-3-amine is sourced from PubChem (CID 122165787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).