1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea

C14H18N6O2 — CID 75399801

IUPAC1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea
SMILESCN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccco1
InChIInChI=1S/C14H18N6O2/c1-20(14(21)17-9-10-4-3-7-22-10)6-2-5-12-11(8-15)13(16)19-18-12/h3-4,7H,2,5-6,9H2,1H3,(H,17,21)(H3,16,18,19)
InChIKeyCYPQQIPQHUCJAQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.23
Rot. Bonds6

About 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea

1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea (PubChem CID 75399801) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea
PubChem CID75399801
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea
SMILESCN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccco1
InChIInChI=1S/C14H18N6O2/c1-20(14(21)17-9-10-4-3-7-22-10)6-2-5-12-11(8-15)13(16)19-18-12/h3-4,7H,2,5-6,9H2,1H3,(H,17,21)(H3,16,18,19)
InChIKeyCYPQQIPQHUCJAQ-UHFFFAOYSA-N
XLogP1.23
TPSA123.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea with MolForge

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Related Compounds

5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 110484783
3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 91905754
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide
CID 8929450
1-[(4-bromothiophen-2-yl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 47236407
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 53184960
2-[2-aminoethyl(methyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61348725
4-amino-5-cyclopropyl-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62075964
2-(3-chloro-2-cyanophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 114322470
1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109134850
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea (CID 75399801) is 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea is CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccco1.
What is the InChIKey of 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is CYPQQIPQHUCJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-20(14(21)17-9-10-4-3-7-22-10)6-2-5-12-11(8-15)13(16)19-18-12/h3-4,7H,2,5-6,9H2,1H3,(H,17,21)(H3,16,18,19).
What are the key properties of 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea?
1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 302.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 75399801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).