1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide

C15H25N5O2 — CID 175661500

IUPAC1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCc1ccn(CCC(=O)N2CCN(C(C)C)CC2C(N)=O)n1
InChIInChI=1S/C15H25N5O2/c1-11(2)18-8-9-20(13(10-18)15(16)22)14(21)5-7-19-6-4-12(3)17-19/h4,6,11,13H,5,7-10H2,1-3H3,(H2,16,22)
InChIKeyXJHKZRUBTUCYRO-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.01
Rot. Bonds5

About 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide

1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 175661500) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID175661500
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCc1ccn(CCC(=O)N2CCN(C(C)C)CC2C(N)=O)n1
InChIInChI=1S/C15H25N5O2/c1-11(2)18-8-9-20(13(10-18)15(16)22)14(21)5-7-19-6-4-12(3)17-19/h4,6,11,13H,5,7-10H2,1-3H3,(H2,16,22)
InChIKeyXJHKZRUBTUCYRO-UHFFFAOYSA-N
XLogP-0.01
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide (CID 175661500) is 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide is Cc1ccn(CCC(=O)N2CCN(C(C)C)CC2C(N)=O)n1.
What is the InChIKey of 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is XJHKZRUBTUCYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(2)18-8-9-20(13(10-18)15(16)22)14(21)5-7-19-6-4-12(3)17-19/h4,6,11,13H,5,7-10H2,1-3H3,(H2,16,22).
What are the key properties of 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide?
1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 175661500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).