N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide

C12H13ClN4O — CID 35531684

IUPACN-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ccc(Cl)cn2)cn1
InChIInChI=1S/C12H13ClN4O/c1-17-8-9(6-15-17)2-5-12(18)16-11-4-3-10(13)7-14-11/h3-4,6-8H,2,5H2,1H3,(H,14,16,18)
InChIKeyPZLAVRHOBLWUND-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.04
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide

N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 35531684) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID35531684
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ccc(Cl)cn2)cn1
InChIInChI=1S/C12H13ClN4O/c1-17-8-9(6-15-17)2-5-12(18)16-11-4-3-10(13)7-14-11/h3-4,6-8H,2,5H2,1H3,(H,14,16,18)
InChIKeyPZLAVRHOBLWUND-UHFFFAOYSA-N
XLogP2.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55873986
N-(3-hydroxy-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298670
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55870787
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258
N-(5-chloro-2-pyridinyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 35271440
3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47298454
2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
CID 87026477
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide
CID 43054897
4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 3136981

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 35531684) is N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)Nc2ccc(Cl)cn2)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is PZLAVRHOBLWUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17-8-9(6-15-17)2-5-12(18)16-11-4-3-10(13)7-14-11/h3-4,6-8H,2,5H2,1H3,(H,14,16,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 264.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35531684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).