3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C16H20N4O2 — CID 111443610

IUPAC3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)N1CCC(CO)C1
InChIInChI=1S/C16H20N4O2/c21-12-13-6-7-19(10-13)16(22)17-8-14-9-18-20(11-14)15-4-2-1-3-5-15/h1-5,9,11,13,21H,6-8,10,12H2,(H,17,22)
InChIKeyBHWDUCNPVOUXQX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.40
Rot. Bonds4

About 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 111443610) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID111443610
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)N1CCC(CO)C1
InChIInChI=1S/C16H20N4O2/c21-12-13-6-7-19(10-13)16(22)17-8-14-9-18-20(11-14)15-4-2-1-3-5-15/h1-5,9,11,13,21H,6-8,10,12H2,(H,17,22)
InChIKeyBHWDUCNPVOUXQX-UHFFFAOYSA-N
XLogP1.40
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104
(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201
3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 111443773
3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide
CID 111458967
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167828406
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94067419
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 99792880

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 111443610) is 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is BHWDUCNPVOUXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-12-13-6-7-19(10-13)16(22)17-8-14-9-18-20(11-14)15-4-2-1-3-5-15/h1-5,9,11,13,21H,6-8,10,12H2,(H,17,22).
What are the key properties of 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).