N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C21H23N5O3 — CID 131900789

IUPACN-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccn3)n[nH]2)ccc1NC(=O)CC(C)C
InChIInChI=1S/C21H23N5O3/c1-13(2)10-20(27)24-16-8-7-14(11-19(16)29-3)23-21(28)18-12-17(25-26-18)15-6-4-5-9-22-15/h4-9,11-13H,10H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyVZSLEGPIKGWIRK-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.72
Rot. Bonds7

About N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 131900789) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID131900789
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccn3)n[nH]2)ccc1NC(=O)CC(C)C
InChIInChI=1S/C21H23N5O3/c1-13(2)10-20(27)24-16-8-7-14(11-19(16)29-3)23-21(28)18-12-17(25-26-18)15-6-4-5-9-22-15/h4-9,11-13H,10H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyVZSLEGPIKGWIRK-UHFFFAOYSA-N
XLogP3.72
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352014
N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576776
3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide
CID 131905829
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide
CID 131938422
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87019112
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 131890754
N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352037
N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576795
N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46964446
N-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-methoxyphenyl]-3-methylbutanamide
CID 50958245
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46963422

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 131900789) is N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is COc1cc(NC(=O)c2cc(-c3ccccn3)n[nH]2)ccc1NC(=O)CC(C)C.
What is the InChIKey of N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is VZSLEGPIKGWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13(2)10-20(27)24-16-8-7-14(11-19(16)29-3)23-21(28)18-12-17(25-26-18)15-6-4-5-9-22-15/h4-9,11-13H,10H2,1-3H3,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 131900789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).