1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

C15H29N5O2 — CID 56814238

IUPAC1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)NCC(CC(C)C)N(C)C)cn1
InChIInChI=1S/C15H29N5O2/c1-12(2)8-14(19(3)4)10-16-15(21)18-13-9-17-20(11-13)6-7-22-5/h9,11-12,14H,6-8,10H2,1-5H3,(H2,16,18,21)
InChIKeyQKZCHQOBOPYNGF-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.63
Rot. Bonds9

About 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (PubChem CID 56814238) has the molecular formula C15H29N5O2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
PubChem CID56814238
Molecular FormulaC15H29N5O2
Molecular Weight311.43 g/mol
Exact Mass311.23
IUPAC Name1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)NCC(CC(C)C)N(C)C)cn1
InChIInChI=1S/C15H29N5O2/c1-12(2)8-14(19(3)4)10-16-15(21)18-13-9-17-20(11-13)6-7-22-5/h9,11-12,14H,6-8,10H2,1-5H3,(H2,16,18,21)
InChIKeyQKZCHQOBOPYNGF-UHFFFAOYSA-N
XLogP1.63
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea
CID 94095897
methyl N-[(2R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 95148726
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 94031186
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea
CID 95974976
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (CID 56814238) is 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is COCCn1cc(NC(=O)NCC(CC(C)C)N(C)C)cn1.
What is the InChIKey of 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The InChIKey is QKZCHQOBOPYNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O2/c1-12(2)8-14(19(3)4)10-16-15(21)18-13-9-17-20(11-13)6-7-22-5/h9,11-12,14H,6-8,10H2,1-5H3,(H2,16,18,21).
What are the key properties of 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea has a molecular weight of 311.43 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 56814238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).