1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea

C11H15N7O — CID 30920939

IUPAC1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea
SMILESO=C(NCC1(Cn2cccn2)CC1)Nc1ncn[nH]1
InChIInChI=1S/C11H15N7O/c19-10(16-9-13-8-14-17-9)12-6-11(2-3-11)7-18-5-1-4-15-18/h1,4-5,8H,2-3,6-7H2,(H3,12,13,14,16,17,19)
InChIKeyFBWXKMXGMLBCBB-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.60
Rot. Bonds5

About 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea

1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea (PubChem CID 30920939) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea.

Molecular Properties

Compound Name1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea
PubChem CID30920939
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea
SMILESO=C(NCC1(Cn2cccn2)CC1)Nc1ncn[nH]1
InChIInChI=1S/C11H15N7O/c19-10(16-9-13-8-14-17-9)12-6-11(2-3-11)7-18-5-1-4-15-18/h1,4-5,8H,2-3,6-7H2,(H3,12,13,14,16,17,19)
InChIKeyFBWXKMXGMLBCBB-UHFFFAOYSA-N
XLogP0.60
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea?
The IUPAC name of 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea (CID 30920939) is 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea.
What is the SMILES notation for 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea?
The canonical SMILES for 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea is O=C(NCC1(Cn2cccn2)CC1)Nc1ncn[nH]1.
What is the InChIKey of 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea?
The InChIKey is FBWXKMXGMLBCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c19-10(16-9-13-8-14-17-9)12-6-11(2-3-11)7-18-5-1-4-15-18/h1,4-5,8H,2-3,6-7H2,(H3,12,13,14,16,17,19).
What are the key properties of 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea?
1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea has a molecular weight of 261.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1H-1,2,4-triazol-5-yl)urea is sourced from PubChem (CID 30920939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).