N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide

C16H20N6O2 — CID 121279738

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ncccn3)C2)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-10(2)12-8-13(21-20-12)16(24)22-7-4-11(9-22)19-15(23)14-17-5-3-6-18-14/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeySYZDAHXXARWCOT-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.97
Rot. Bonds4

About N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 121279738) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide
PubChem CID121279738
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ncccn3)C2)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-10(2)12-8-13(21-20-12)16(24)22-7-4-11(9-22)19-15(23)14-17-5-3-6-18-14/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeySYZDAHXXARWCOT-UHFFFAOYSA-N
XLogP0.97
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide (CID 121279738) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ncccn3)C2)n[nH]1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is SYZDAHXXARWCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10(2)12-8-13(21-20-12)16(24)22-7-4-11(9-22)19-15(23)14-17-5-3-6-18-14/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 121279738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).