3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea

C19H29N5O — CID 97436636

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
SMILESCCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1c(C)nn(CC)c1C
InChIInChI=1S/C19H29N5O/c1-6-8-11-17(16-10-9-12-20-13-16)23(5)19(25)21-18-14(3)22-24(7-2)15(18)4/h9-10,12-13,17H,6-8,11H2,1-5H3,(H,21,25)/t17-/m0/s1
InChIKeyMSHSBOQPIPJDFV-KRWDZBQOSA-N
MW343.48 g/mol
LogP4.31
Rot. Bonds7

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea (PubChem CID 97436636) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
PubChem CID97436636
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
SMILESCCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1c(C)nn(CC)c1C
InChIInChI=1S/C19H29N5O/c1-6-8-11-17(16-10-9-12-20-13-16)23(5)19(25)21-18-14(3)22-24(7-2)15(18)4/h9-10,12-13,17H,6-8,11H2,1-5H3,(H,21,25)/t17-/m0/s1
InChIKeyMSHSBOQPIPJDFV-KRWDZBQOSA-N
XLogP4.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
CID 125172275
1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
CID 119069380
1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea
CID 118763854
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 137027898
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea
CID 137027899
N,1,3-trimethyl-2,6-dioxo-N-[(1S)-1-pyridin-3-ylpentyl]pyrimidine-4-carboxamide
CID 95144359
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide
CID 125156737
N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 131908751
4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide
CID 99935099
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97064402

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea (CID 97436636) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea is CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1c(C)nn(CC)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea?
The InChIKey is MSHSBOQPIPJDFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N5O/c1-6-8-11-17(16-10-9-12-20-13-16)23(5)19(25)21-18-14(3)22-24(7-2)15(18)4/h9-10,12-13,17H,6-8,11H2,1-5H3,(H,21,25)/t17-/m0/s1.
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea has a molecular weight of 343.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea is sourced from PubChem (CID 97436636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).