1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea

C12H18N6O — CID 75442533

IUPAC1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea
SMILESCN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CC1
InChIInChI=1S/C12H18N6O/c1-18(12(19)15-8-4-5-8)6-2-3-10-9(7-13)11(14)17-16-10/h8H,2-6H2,1H3,(H,15,19)(H3,14,16,17)
InChIKeyVYTHCTXUROORNS-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.60
Rot. Bonds5

About 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea

1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea (PubChem CID 75442533) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea.

Molecular Properties

Compound Name1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea
PubChem CID75442533
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea
SMILESCN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CC1
InChIInChI=1S/C12H18N6O/c1-18(12(19)15-8-4-5-8)6-2-3-10-9(7-13)11(14)17-16-10/h8H,2-6H2,1H3,(H,15,19)(H3,14,16,17)
InChIKeyVYTHCTXUROORNS-UHFFFAOYSA-N
XLogP0.60
TPSA110.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea?
The IUPAC name of 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea (CID 75442533) is 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea.
What is the SMILES notation for 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea?
The canonical SMILES for 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea is CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CC1.
What is the InChIKey of 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea?
The InChIKey is VYTHCTXUROORNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-18(12(19)15-8-4-5-8)6-2-3-10-9(7-13)11(14)17-16-10/h8H,2-6H2,1H3,(H,15,19)(H3,14,16,17).
What are the key properties of 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea?
1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea has a molecular weight of 262.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-cyclopropyl-1-methylurea is sourced from PubChem (CID 75442533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).