1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea

C12H14N4O — CID 166196110

IUPAC1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
SMILESO=C(NCC1CC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H14N4O/c17-12(13-6-8-1-2-8)15-10-3-4-11-9(5-10)7-14-16-11/h3-5,7-8H,1-2,6H2,(H,14,16)(H2,13,15,17)
InChIKeyGNENIJXOQFZCJP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.09
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea

1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea (PubChem CID 166196110) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
PubChem CID166196110
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
SMILESO=C(NCC1CC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H14N4O/c17-12(13-6-8-1-2-8)15-10-3-4-11-9(5-10)7-14-16-11/h3-5,7-8H,1-2,6H2,(H,14,16)(H2,13,15,17)
InChIKeyGNENIJXOQFZCJP-UHFFFAOYSA-N
XLogP2.09
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 72916049
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea
CID 118788784
2-(cyclopropanecarbonylamino)-3-N-(cyclopropylmethyl)-5-N-(1H-indazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3,5-dicarboxamide
CID 146278801
1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride
CID 154903001
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
CID 150071160
(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944700

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea (CID 166196110) is 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea is O=C(NCC1CC1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea?
The InChIKey is GNENIJXOQFZCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(13-6-8-1-2-8)15-10-3-4-11-9(5-10)7-14-16-11/h3-5,7-8H,1-2,6H2,(H,14,16)(H2,13,15,17).
What are the key properties of 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea?
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea has a molecular weight of 230.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea is sourced from PubChem (CID 166196110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).