N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide

C20H21N5O — CID 166280018

IUPACN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(Cc3cnn(C)c3)C3CC3)cc2)nn1
InChIInChI=1S/C20H21N5O/c1-14-3-10-19(23-22-14)16-4-6-17(7-5-16)20(26)25(18-8-9-18)13-15-11-21-24(2)12-15/h3-7,10-12,18H,8-9,13H2,1-2H3
InChIKeyUUHRLTRGUVFLCC-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.99
Rot. Bonds5

About N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide

N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide (PubChem CID 166280018) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
PubChem CID166280018
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(Cc3cnn(C)c3)C3CC3)cc2)nn1
InChIInChI=1S/C20H21N5O/c1-14-3-10-19(23-22-14)16-4-6-17(7-5-16)20(26)25(18-8-9-18)13-15-11-21-24(2)12-15/h3-7,10-12,18H,8-9,13H2,1-2H3
InChIKeyUUHRLTRGUVFLCC-UHFFFAOYSA-N
XLogP2.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 166280015
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56702352
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 56744170
N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 119060388
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72923146
N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 119071188
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119060916
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122565755

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide (CID 166280018) is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2ccc(C(=O)N(Cc3cnn(C)c3)C3CC3)cc2)nn1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is UUHRLTRGUVFLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-3-10-19(23-22-14)16-4-6-17(7-5-16)20(26)25(18-8-9-18)13-15-11-21-24(2)12-15/h3-7,10-12,18H,8-9,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide?
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 166280018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).