N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide

C14H19N5O — CID 154739648

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1c(CNC(=O)c2cncnc2C(C)C)cnn1C
InChIInChI=1S/C14H19N5O/c1-9(2)13-12(7-15-8-17-13)14(20)16-5-11-6-18-19(4)10(11)3/h6-9H,5H2,1-4H3,(H,16,20)
InChIKeySLZUTIZBYSDDQH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.57
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 154739648) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID154739648
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1c(CNC(=O)c2cncnc2C(C)C)cnn1C
InChIInChI=1S/C14H19N5O/c1-9(2)13-12(7-15-8-17-13)14(20)16-5-11-6-18-19(4)10(11)3/h6-9H,5H2,1-4H3,(H,16,20)
InChIKeySLZUTIZBYSDDQH-UHFFFAOYSA-N
XLogP1.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide
CID 146075789
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 120831989
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106040133
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 106049941
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103862411

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide (CID 154739648) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide is Cc1c(CNC(=O)c2cncnc2C(C)C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is SLZUTIZBYSDDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(2)13-12(7-15-8-17-13)14(20)16-5-11-6-18-19(4)10(11)3/h6-9H,5H2,1-4H3,(H,16,20).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 154739648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).