N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine

C13H17ClN4S — CID 154029310

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine
SMILESClc1ccc(CNc2cc(C3CCCNC3)[nH]n2)s1
InChIInChI=1S/C13H17ClN4S/c14-12-4-3-10(19-12)8-16-13-6-11(17-18-13)9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2,(H2,16,17,18)
InChIKeyAHWLICYNKSZWGO-UHFFFAOYSA-N
MW296.83 g/mol
LogP3.20
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine

N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine (PubChem CID 154029310) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine
PubChem CID154029310
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine
SMILESClc1ccc(CNc2cc(C3CCCNC3)[nH]n2)s1
InChIInChI=1S/C13H17ClN4S/c14-12-4-3-10(19-12)8-16-13-6-11(17-18-13)9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2,(H2,16,17,18)
InChIKeyAHWLICYNKSZWGO-UHFFFAOYSA-N
XLogP3.20
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine (CID 154029310) is N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine is Clc1ccc(CNc2cc(C3CCCNC3)[nH]n2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine?
The InChIKey is AHWLICYNKSZWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c14-12-4-3-10(19-12)8-16-13-6-11(17-18-13)9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2,(H2,16,17,18).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine?
N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine has a molecular weight of 296.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 154029310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).