N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide

C13H14ClN5O3 — CID 2981360

IUPACN-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(Cl)cn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H14ClN5O3/c1-7-12(19(21)22)8(2)18(17-7)9(3)13(20)16-11-5-4-10(14)6-15-11/h4-6,9H,1-3H3,(H,15,16,20)
InChIKeyKHTMMUKDPISEOV-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.66
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide

N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 2981360) has the molecular formula C13H14ClN5O3 and a molecular weight of 323.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
PubChem CID2981360
Molecular FormulaC13H14ClN5O3
Molecular Weight323.74 g/mol
Exact Mass323.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(Cl)cn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H14ClN5O3/c1-7-12(19(21)22)8(2)18(17-7)9(3)13(20)16-11-5-4-10(14)6-15-11/h4-6,9H,1-3H3,(H,15,16,20)
InChIKeyKHTMMUKDPISEOV-UHFFFAOYSA-N
XLogP2.66
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-methylpyridin-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4916122
N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-3-carboxamide
CID 841670
N-(2-chloropyridin-3-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 1099824
N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259262
2-(3-nitro-1H-pyrazol-1-yl)-N-2-pyridinylacetamide
CID 1508272
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(pyridin-2-yl)butanamide
CID 1511624
N-(2-chloropyridin-3-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 4988265
N-(2-chloropyridin-3-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 4988277
2-{3-nitro-1H-pyrazol-1-yl}-N-(4-methyl-2-pyridinyl)acetamide
CID 708196
4-chloro-N-(5-chloro-2-pyridinyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 725806
3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 843498
N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide
CID 1084322

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide (CID 2981360) is N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide is Cc1nn(C(C)C(=O)Nc2ccc(Cl)cn2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is KHTMMUKDPISEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O3/c1-7-12(19(21)22)8(2)18(17-7)9(3)13(20)16-11-5-4-10(14)6-15-11/h4-6,9H,1-3H3,(H,15,16,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide?
N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 323.74 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 2981360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).