N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide

C20H21FN6O — CID 166303769

IUPACN-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
SMILESCn1nc(C2CCCN2)cc1C(=O)Nc1cnc(Cc2ccc(F)cc2)nc1
InChIInChI=1S/C20H21FN6O/c1-27-18(10-17(26-27)16-3-2-8-22-16)20(28)25-15-11-23-19(24-12-15)9-13-4-6-14(21)7-5-13/h4-7,10-12,16,22H,2-3,8-9H2,1H3,(H,25,28)
InChIKeyZNGCVNKJGWJEFU-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.62
Rot. Bonds5

About N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide

N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide (PubChem CID 166303769) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
PubChem CID166303769
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
SMILESCn1nc(C2CCCN2)cc1C(=O)Nc1cnc(Cc2ccc(F)cc2)nc1
InChIInChI=1S/C20H21FN6O/c1-27-18(10-17(26-27)16-3-2-8-22-16)20(28)25-15-11-23-19(24-12-15)9-13-4-6-14(21)7-5-13/h4-7,10-12,16,22H,2-3,8-9H2,1H3,(H,25,28)
InChIKeyZNGCVNKJGWJEFU-UHFFFAOYSA-N
XLogP2.62
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide (CID 166303769) is N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide is Cn1nc(C2CCCN2)cc1C(=O)Nc1cnc(Cc2ccc(F)cc2)nc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide?
The InChIKey is ZNGCVNKJGWJEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-27-18(10-17(26-27)16-3-2-8-22-16)20(28)25-15-11-23-19(24-12-15)9-13-4-6-14(21)7-5-13/h4-7,10-12,16,22H,2-3,8-9H2,1H3,(H,25,28).
What are the key properties of N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide?
N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 166303769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).