4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C17H23N5OS — CID 91629051

IUPAC4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCn1nc(C2CC2)cc1N1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C17H23N5OS/c1-20-16(11-15(19-20)13-4-5-13)21-6-8-22(9-7-21)17(23)18-12-14-3-2-10-24-14/h2-3,10-11,13H,4-9,12H2,1H3,(H,18,23)
InChIKeyDWFUTPJDDDNDHQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.39
Rot. Bonds4

About 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 91629051) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID91629051
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCn1nc(C2CC2)cc1N1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C17H23N5OS/c1-20-16(11-15(19-20)13-4-5-13)21-6-8-22(9-7-21)17(23)18-12-14-3-2-10-24-14/h2-3,10-11,13H,4-9,12H2,1H3,(H,18,23)
InChIKeyDWFUTPJDDDNDHQ-UHFFFAOYSA-N
XLogP2.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10807988, Example SC_3329
CID 130201494
US10118930, Example 25
CID 137018450
1-ethyl-3-[[(2R,4S,5R)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 25388864
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47198496
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 51104719
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 51104810
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 51105120
1-[2-(Dimethylamino)-2-thiophen-3-ylethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 53503087
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 53541598
1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 53542546
1-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 71807791
1-(2,5-Dimethylpyrazol-3-yl)-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidin-2-one
CID 75471403

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 91629051) is 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is Cn1nc(C2CC2)cc1N1CCN(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is DWFUTPJDDDNDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-20-16(11-15(19-20)13-4-5-13)21-6-8-22(9-7-21)17(23)18-12-14-3-2-10-24-14/h2-3,10-11,13H,4-9,12H2,1H3,(H,18,23).
What are the key properties of 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 91629051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).