N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide

C16H20N6O2 — CID 95806245

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H20N6O2/c1-11-14(7-17-10-18-11)16(24)21-13-6-19-22(8-13)9-15(23)20-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyQQLZGWTVOFRTPR-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.29
Rot. Bonds5

About N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 95806245) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID95806245
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H20N6O2/c1-11-14(7-17-10-18-11)16(24)21-13-6-19-22(8-13)9-15(23)20-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyQQLZGWTVOFRTPR-UHFFFAOYSA-N
XLogP1.29
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide (CID 95806245) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is QQLZGWTVOFRTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-14(7-17-10-18-11)16(24)21-13-6-19-22(8-13)9-15(23)20-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 95806245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).