1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide

C14H20ClN5O2 — CID 56881716

IUPAC1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
SMILESO=C(NC1CC1)C1CNCCN1C(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C14H20ClN5O2/c15-10-7-17-19(9-10)5-3-13(21)20-6-4-16-8-12(20)14(22)18-11-1-2-11/h7,9,11-12,16H,1-6,8H2,(H,18,22)
InChIKeyJCRSBLHALNGLML-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.01
Rot. Bonds5

About 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide

1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide (PubChem CID 56881716) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
PubChem CID56881716
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
SMILESO=C(NC1CC1)C1CNCCN1C(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C14H20ClN5O2/c15-10-7-17-19(9-10)5-3-13(21)20-6-4-16-8-12(20)14(22)18-11-1-2-11/h7,9,11-12,16H,1-6,8H2,(H,18,22)
InChIKeyJCRSBLHALNGLML-UHFFFAOYSA-N
XLogP0.01
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide?
The IUPAC name of 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide (CID 56881716) is 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide?
The canonical SMILES for 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide is O=C(NC1CC1)C1CNCCN1C(=O)CCn1cc(Cl)cn1.
What is the InChIKey of 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide?
The InChIKey is JCRSBLHALNGLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O2/c15-10-7-17-19(9-10)5-3-13(21)20-6-4-16-8-12(20)14(22)18-11-1-2-11/h7,9,11-12,16H,1-6,8H2,(H,18,22).
What are the key properties of 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide?
1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide is sourced from PubChem (CID 56881716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).