(3,5-dimethyl-1H-pyrazol-4-yl)methylurea

C7H12N4O — CID 130671473

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)methylurea
SMILESCc1n[nH]c(C)c1CNC(N)=O
InChIInChI=1S/C7H12N4O/c1-4-6(3-9-7(8)12)5(2)11-10-4/h3H2,1-2H3,(H,10,11)(H3,8,9,12)
InChIKeyBYORHUCZVLIZSS-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.19
Rot. Bonds2

About (3,5-dimethyl-1H-pyrazol-4-yl)methylurea

(3,5-dimethyl-1H-pyrazol-4-yl)methylurea (PubChem CID 130671473) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)methylurea.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)methylurea
PubChem CID130671473
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)methylurea
SMILESCc1n[nH]c(C)c1CNC(N)=O
InChIInChI=1S/C7H12N4O/c1-4-6(3-9-7(8)12)5(2)11-10-4/h3H2,1-2H3,(H,10,11)(H3,8,9,12)
InChIKeyBYORHUCZVLIZSS-UHFFFAOYSA-N
XLogP0.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 645354
1-cyclohexyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 53544708
(3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
CID 139060191
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50970237
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 71915125
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea
CID 71932031
N~1~-(tert-butyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-beta-alaninamide
CID 91830246
1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea
CID 95211564
(3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97606960
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 138027438
N-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 71967373
1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea
CID 87745112

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)methylurea?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)methylurea (CID 130671473) is (3,5-dimethyl-1H-pyrazol-4-yl)methylurea.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)methylurea?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)methylurea is Cc1n[nH]c(C)c1CNC(N)=O.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)methylurea?
The InChIKey is BYORHUCZVLIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-6(3-9-7(8)12)5(2)11-10-4/h3H2,1-2H3,(H,10,11)(H3,8,9,12).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)methylurea?
(3,5-dimethyl-1H-pyrazol-4-yl)methylurea has a molecular weight of 168.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)methylurea is sourced from PubChem (CID 130671473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).