N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide

C13H15N5O — CID 122300412

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)C3CC3)cn2)n1
InChIInChI=1S/C13H15N5O/c1-8-5-9(2)18(17-8)13-14-6-11(7-15-13)16-12(19)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,16,19)
InChIKeyBAKIJTIXKJUUQB-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.63
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide (PubChem CID 122300412) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
PubChem CID122300412
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)C3CC3)cn2)n1
InChIInChI=1S/C13H15N5O/c1-8-5-9(2)18(17-8)13-14-6-11(7-15-13)16-12(19)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,16,19)
InChIKeyBAKIJTIXKJUUQB-UHFFFAOYSA-N
XLogP1.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122300497
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300441
1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 122300462
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122300460
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
CID 122300554
4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815
(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632728
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122300571
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112477
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide (CID 122300412) is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide is Cc1cc(C)n(-c2ncc(NC(=O)C3CC3)cn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide?
The InChIKey is BAKIJTIXKJUUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-5-9(2)18(17-8)13-14-6-11(7-15-13)16-12(19)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 122300412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).