N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide

C18H27N5O2 — CID 46990688

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCc1cc(C)n(CCC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(=O)n1
InChIInChI=1S/C18H27N5O2/c1-12-9-13(2)23(17(25)19-12)8-7-16(24)22(6)11-14-10-15(21-20-14)18(3,4)5/h9-10H,7-8,11H2,1-6H3,(H,20,21)
InChIKeyGNBSVDQSOJDXTE-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.93
Rot. Bonds5

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 46990688) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID46990688
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCc1cc(C)n(CCC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(=O)n1
InChIInChI=1S/C18H27N5O2/c1-12-9-13(2)23(17(25)19-12)8-7-16(24)22(6)11-14-10-15(21-20-14)18(3,4)5/h9-10H,7-8,11H2,1-6H3,(H,20,21)
InChIKeyGNBSVDQSOJDXTE-UHFFFAOYSA-N
XLogP1.93
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide (CID 46990688) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide is Cc1cc(C)n(CCC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(=O)n1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is GNBSVDQSOJDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12-9-13(2)23(17(25)19-12)8-7-16(24)22(6)11-14-10-15(21-20-14)18(3,4)5/h9-10H,7-8,11H2,1-6H3,(H,20,21).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 345.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 46990688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).