N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

C18H19N3OS2 — CID 70718980

IUPACN-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(Cc3sccc3C)C3CC3)n[nH]2)s1
InChIInChI=1S/C18H19N3OS2/c1-11-7-8-23-17(11)10-21(13-4-5-13)18(22)15-9-14(19-20-15)16-6-3-12(2)24-16/h3,6-9,13H,4-5,10H2,1-2H3,(H,19,20)
InChIKeyNWYNCRLIZXRGAM-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.62
Rot. Bonds5

About N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 70718980) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID70718980
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(Cc3sccc3C)C3CC3)n[nH]2)s1
InChIInChI=1S/C18H19N3OS2/c1-11-7-8-23-17(11)10-21(13-4-5-13)18(22)15-9-14(19-20-15)16-6-3-12(2)24-16/h3,6-9,13H,4-5,10H2,1-2H3,(H,19,20)
InChIKeyNWYNCRLIZXRGAM-UHFFFAOYSA-N
XLogP4.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-5-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 70772384
N-(2,2-dimethyloxan-4-yl)-N-ethyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70725369
N-(1,1-dioxothiolan-3-yl)-5-(5-methylthiophen-2-yl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 50957764
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 39628059
N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 70725637
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 7379212
5-(5-methylthiophen-2-yl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 39297316
N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829125
1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 72929172
(2R)-1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 97284605
1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea
CID 119065959
[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70713095

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 70718980) is N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(Cc3sccc3C)C3CC3)n[nH]2)s1.
What is the InChIKey of N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NWYNCRLIZXRGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-11-7-8-23-17(11)10-21(13-4-5-13)18(22)15-9-14(19-20-15)16-6-3-12(2)24-16/h3,6-9,13H,4-5,10H2,1-2H3,(H,19,20).
What are the key properties of N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70718980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).