1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea

C10H11N5O — CID 51084990

IUPAC1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
SMILESO=C(NCc1ccn[nH]1)Nc1ccccn1
InChIInChI=1S/C10H11N5O/c16-10(12-7-8-4-6-13-15-8)14-9-3-1-2-5-11-9/h1-6H,7H2,(H,13,15)(H2,11,12,14,16)
InChIKeyWZJPINVJNSTMEL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.13
Rot. Bonds3

About 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea

1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea (PubChem CID 51084990) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
PubChem CID51084990
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
SMILESO=C(NCc1ccn[nH]1)Nc1ccccn1
InChIInChI=1S/C10H11N5O/c16-10(12-7-8-4-6-13-15-8)14-9-3-1-2-5-11-9/h1-6H,7H2,(H,13,15)(H2,11,12,14,16)
InChIKeyWZJPINVJNSTMEL-UHFFFAOYSA-N
XLogP1.13
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
CID 47237582
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 47038916
1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 110895797
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61285252

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea (CID 51084990) is 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea is O=C(NCc1ccn[nH]1)Nc1ccccn1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea?
The InChIKey is WZJPINVJNSTMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c16-10(12-7-8-4-6-13-15-8)14-9-3-1-2-5-11-9/h1-6H,7H2,(H,13,15)(H2,11,12,14,16).
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea?
1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea has a molecular weight of 217.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 51084990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).