1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea

C14H17N5O — CID 72861721

IUPAC1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea
SMILESCn1cc(CN(C(=O)Nc2cccnc2)C2CC2)cn1
InChIInChI=1S/C14H17N5O/c1-18-9-11(7-16-18)10-19(13-4-5-13)14(20)17-12-3-2-6-15-8-12/h2-3,6-9,13H,4-5,10H2,1H3,(H,17,20)
InChIKeyDIAKJZISXQUNEO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.01
Rot. Bonds4

About 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea

1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea (PubChem CID 72861721) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea
PubChem CID72861721
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea
SMILESCn1cc(CN(C(=O)Nc2cccnc2)C2CC2)cn1
InChIInChI=1S/C14H17N5O/c1-18-9-11(7-16-18)10-19(13-4-5-13)14(20)17-12-3-2-6-15-8-12/h2-3,6-9,13H,4-5,10H2,1H3,(H,17,20)
InChIKeyDIAKJZISXQUNEO-UHFFFAOYSA-N
XLogP2.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea (CID 72861721) is 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea is Cn1cc(CN(C(=O)Nc2cccnc2)C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea?
The InChIKey is DIAKJZISXQUNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-9-11(7-16-18)10-19(13-4-5-13)14(20)17-12-3-2-6-15-8-12/h2-3,6-9,13H,4-5,10H2,1H3,(H,17,20).
What are the key properties of 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea?
1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea has a molecular weight of 271.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 72861721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).