N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C18H26N4OS — CID 163313738

IUPACN-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCC(N(C)C)CC3)n[nH]2)s1
InChIInChI=1S/C18H26N4OS/c1-12-4-9-17(24-12)15-10-16(21-20-15)18(23)19-11-13-5-7-14(8-6-13)22(2)3/h4,9-10,13-14H,5-8,11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyQKOTUZGSXLNLDH-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.30
Rot. Bonds5

About N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 163313738) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID163313738
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCC(N(C)C)CC3)n[nH]2)s1
InChIInChI=1S/C18H26N4OS/c1-12-4-9-17(24-12)15-10-16(21-20-15)18(23)19-11-13-5-7-14(8-6-13)22(2)3/h4,9-10,13-14H,5-8,11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyQKOTUZGSXLNLDH-UHFFFAOYSA-N
XLogP3.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 72874195
5-(5-methylthiophen-2-yl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 39297316
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
N-[(5-methylfuran-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70750896
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167959032
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 97155095
N-cyclopropyl-5-(5-methylthiophen-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 70718980
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70772964
ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 167897068
N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70730689
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167828873
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 163313738) is N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCC3CCC(N(C)C)CC3)n[nH]2)s1.
What is the InChIKey of N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is QKOTUZGSXLNLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-12-4-9-17(24-12)15-10-16(21-20-15)18(23)19-11-13-5-7-14(8-6-13)22(2)3/h4,9-10,13-14H,5-8,11H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 163313738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).