1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea

C10H18N4O — CID 43547022

IUPAC1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)NC(C)(C)C
InChIInChI=1S/C10H18N4O/c1-6-8(7(2)14-13-6)11-9(15)12-10(3,4)5/h1-5H3,(H,13,14)(H2,11,12,15)
InChIKeyYQLKQQKSMYLOOX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.95
Rot. Bonds1

About 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea

1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea (PubChem CID 43547022) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
PubChem CID43547022
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)NC(C)(C)C
InChIInChI=1S/C10H18N4O/c1-6-8(7(2)14-13-6)11-9(15)12-10(3,4)5/h1-5H3,(H,13,14)(H2,11,12,15)
InChIKeyYQLKQQKSMYLOOX-UHFFFAOYSA-N
XLogP1.95
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 64702411
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797260
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43546603
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxypropanamide
CID 126991153
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43547720
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548312
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide
CID 43546964
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1,1-diethylurea
CID 78951288
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005421

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea (CID 43547022) is 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea is Cc1n[nH]c(C)c1NC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The InChIKey is YQLKQQKSMYLOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6-8(7(2)14-13-6)11-9(15)12-10(3,4)5/h1-5H3,(H,13,14)(H2,11,12,15).
What are the key properties of 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea has a molecular weight of 210.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 43547022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).