N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide

C12H15N5O — CID 136558778

IUPACN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2n[nH]c(C)c2C)ncn1
InChIInChI=1S/C12H15N5O/c1-7-4-10(15-6-14-7)12(18)13-5-11-8(2)9(3)16-17-11/h4,6H,5H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyIRVRSMSAOSKFBR-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.05
Rot. Bonds3

About N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide

N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 136558778) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID136558778
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2n[nH]c(C)c2C)ncn1
InChIInChI=1S/C12H15N5O/c1-7-4-10(15-6-14-7)12(18)13-5-11-8(2)9(3)16-17-11/h4,6H,5H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyIRVRSMSAOSKFBR-UHFFFAOYSA-N
XLogP1.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771
N'-acetyl-6-methylpyrimidine-4-carbohydrazide
CID 142352273
N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 110848002
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
2-bromo-1-(6-methylpyrimidin-4-yl)ethanone
CID 160890814
3-(2,4-difluorophenyl)-N-[(6-methylpyrimidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122263488
6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine
CID 162622233
4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 143272971
4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid
CID 82401455
3-(6-methylpyrimidin-4-yl)-3-oxopropanal
CID 55266139
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484286

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide (CID 136558778) is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2n[nH]c(C)c2C)ncn1.
What is the InChIKey of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is IRVRSMSAOSKFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-4-10(15-6-14-7)12(18)13-5-11-8(2)9(3)16-17-11/h4,6H,5H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide?
N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 136558778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).