3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea

C16H24N4OS — CID 94125056

IUPAC3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2ccsc2)n1
InChIInChI=1S/C16H24N4OS/c1-12(9-20-14(3)7-13(2)18-20)8-17-16(21)19(4)10-15-5-6-22-11-15/h5-7,11-12H,8-10H2,1-4H3,(H,17,21)/t12-/m1/s1
InChIKeyCSAXRFRIPQCGRP-GFCCVEGCSA-N
MW320.46 g/mol
LogP3.04
Rot. Bonds6

About 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea

3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea (PubChem CID 94125056) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
PubChem CID94125056
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2ccsc2)n1
InChIInChI=1S/C16H24N4OS/c1-12(9-20-14(3)7-13(2)18-20)8-17-16(21)19(4)10-15-5-6-22-11-15/h5-7,11-12H,8-10H2,1-4H3,(H,17,21)/t12-/m1/s1
InChIKeyCSAXRFRIPQCGRP-GFCCVEGCSA-N
XLogP3.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 51118288
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 94028959
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
3-[(2R)-3-(dimethylamino)-2-methylpropyl]-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
CID 125445042
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 91832275
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
4-[[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoylamino]methyl]-N,N-dimethylbenzamide
CID 86995154
3-methoxy-4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 103158614
4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide
CID 94732274
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylfuran-3-carboxamide
CID 47042468

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea (CID 94125056) is 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea is Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2ccsc2)n1.
What is the InChIKey of 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
The InChIKey is CSAXRFRIPQCGRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-12(9-20-14(3)7-13(2)18-20)8-17-16(21)19(4)10-15-5-6-22-11-15/h5-7,11-12H,8-10H2,1-4H3,(H,17,21)/t12-/m1/s1.
What are the key properties of 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea has a molecular weight of 320.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methyl-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 94125056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).