[4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid

C16H20N4O2 — CID 91523495

IUPAC[4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid
SMILESO=C(O)N(CCN1CCCC1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H20N4O2/c21-16(22)20(10-9-19-7-1-2-8-19)15-5-3-13(4-6-15)14-11-17-18-12-14/h3-6,11-12H,1-2,7-10H2,(H,17,18)(H,21,22)
InChIKeyUYHYZZJDAPQLAG-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.66
Rot. Bonds5

About [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid

[4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid (PubChem CID 91523495) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid.

Molecular Properties

Compound Name[4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid
PubChem CID91523495
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid
SMILESO=C(O)N(CCN1CCCC1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H20N4O2/c21-16(22)20(10-9-19-7-1-2-8-19)15-5-3-13(4-6-15)14-11-17-18-12-14/h3-6,11-12H,1-2,7-10H2,(H,17,18)(H,21,22)
InChIKeyUYHYZZJDAPQLAG-UHFFFAOYSA-N
XLogP2.66
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid?
The IUPAC name of [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid (CID 91523495) is [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid.
What is the SMILES notation for [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid?
The canonical SMILES for [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid is O=C(O)N(CCN1CCCC1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid?
The InChIKey is UYHYZZJDAPQLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(22)20(10-9-19-7-1-2-8-19)15-5-3-13(4-6-15)14-11-17-18-12-14/h3-6,11-12H,1-2,7-10H2,(H,17,18)(H,21,22).
What are the key properties of [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid?
[4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid has a molecular weight of 300.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid is sourced from PubChem (CID 91523495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).