3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide

C21H25N5O — CID 155954522

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide
SMILESCc1n[nH]c(C)c1CC(C)C(=O)NCc1ccc(Nc2ccncc2)cc1
InChIInChI=1S/C21H25N5O/c1-14(12-20-15(2)25-26-16(20)3)21(27)23-13-17-4-6-18(7-5-17)24-19-8-10-22-11-9-19/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyHNSJGDOGFHGQCB-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.66
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide (PubChem CID 155954522) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide
PubChem CID155954522
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide
SMILESCc1n[nH]c(C)c1CC(C)C(=O)NCc1ccc(Nc2ccncc2)cc1
InChIInChI=1S/C21H25N5O/c1-14(12-20-15(2)25-26-16(20)3)21(27)23-13-17-4-6-18(7-5-17)24-19-8-10-22-11-9-19/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyHNSJGDOGFHGQCB-UHFFFAOYSA-N
XLogP3.66
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide with MolForge

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Related Compounds

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CID 119864763
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide (CID 155954522) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide is Cc1n[nH]c(C)c1CC(C)C(=O)NCc1ccc(Nc2ccncc2)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide?
The InChIKey is HNSJGDOGFHGQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14(12-20-15(2)25-26-16(20)3)21(27)23-13-17-4-6-18(7-5-17)24-19-8-10-22-11-9-19/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide has a molecular weight of 363.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[[4-(pyridin-4-ylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 155954522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).