1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide

C16H21N5O2 — CID 110117876

IUPAC1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnc(C3(C)CCCCO3)nc2)cn1
InChIInChI=1S/C16H21N5O2/c1-16(5-3-4-6-23-16)15-18-8-12(9-19-15)7-17-14(22)13-10-20-21(2)11-13/h8-11H,3-7H2,1-2H3,(H,17,22)
InChIKeyNCDJIGMYILKFJJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.56
Rot. Bonds4

About 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (PubChem CID 110117876) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
PubChem CID110117876
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnc(C3(C)CCCCO3)nc2)cn1
InChIInChI=1S/C16H21N5O2/c1-16(5-3-4-6-23-16)15-18-8-12(9-19-15)7-17-14(22)13-10-20-21(2)11-13/h8-11H,3-7H2,1-2H3,(H,17,22)
InChIKeyNCDJIGMYILKFJJ-UHFFFAOYSA-N
XLogP1.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117887
4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117829
N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 124951491
2-ethoxy-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
CID 110117869
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide
CID 124952350
N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide
CID 124988461
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
CID 119259808
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 115364123
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (CID 110117876) is 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cnc(C3(C)CCCCO3)nc2)cn1.
What is the InChIKey of 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is NCDJIGMYILKFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-16(5-3-4-6-23-16)15-18-8-12(9-19-15)7-17-14(22)13-10-20-21(2)11-13/h8-11H,3-7H2,1-2H3,(H,17,22).
What are the key properties of 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110117876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).