N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide

C18H27N5O — CID 77091638

IUPACN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N(C)Cc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C18H27N5O/c1-7-8-17-15(9-19-11-20-17)18(24)22(6)10-16-13(4)21-23(12(2)3)14(16)5/h9,11-12H,7-8,10H2,1-6H3
InChIKeyZEVHLDBHLLMIDD-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.10
Rot. Bonds6

About N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide (PubChem CID 77091638) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide
PubChem CID77091638
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N(C)Cc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C18H27N5O/c1-7-8-17-15(9-19-11-20-17)18(24)22(6)10-16-13(4)21-23(12(2)3)14(16)5/h9,11-12H,7-8,10H2,1-6H3
InChIKeyZEVHLDBHLLMIDD-UHFFFAOYSA-N
XLogP3.10
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide (CID 77091638) is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)N(C)Cc1c(C)nn(C(C)C)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide?
The InChIKey is ZEVHLDBHLLMIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-7-8-17-15(9-19-11-20-17)18(24)22(6)10-16-13(4)21-23(12(2)3)14(16)5/h9,11-12H,7-8,10H2,1-6H3.
What are the key properties of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide?
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77091638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).