3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

C19H25N5O — CID 56701819

IUPAC3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCC2CCCN(C/C=C/c3ccccc3)C2)[nH]n1
InChIInChI=1S/C19H25N5O/c20-18-12-17(22-23-18)19(25)21-13-16-9-5-11-24(14-16)10-4-8-15-6-2-1-3-7-15/h1-4,6-8,12,16H,5,9-11,13-14H2,(H,21,25)(H3,20,22,23)/b8-4+
InChIKeyFVIKUICIQCRUPO-XBXARRHUSA-N
MW339.44 g/mol
LogP2.15
Rot. Bonds6

About 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 56701819) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID56701819
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCC2CCCN(C/C=C/c3ccccc3)C2)[nH]n1
InChIInChI=1S/C19H25N5O/c20-18-12-17(22-23-18)19(25)21-13-16-9-5-11-24(14-16)10-4-8-15-6-2-1-3-7-15/h1-4,6-8,12,16H,5,9-11,13-14H2,(H,21,25)(H3,20,22,23)/b8-4+
InChIKeyFVIKUICIQCRUPO-XBXARRHUSA-N
XLogP2.15
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

2-amino-N-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 56701383
2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 95188553
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
CID 95190416
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 125157238
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367
N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45195444
N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 95191546
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (CID 56701819) is 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCC2CCCN(C/C=C/c3ccccc3)C2)[nH]n1.
What is the InChIKey of 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FVIKUICIQCRUPO-XBXARRHUSA-N. The full InChI is InChI=1S/C19H25N5O/c20-18-12-17(22-23-18)19(25)21-13-16-9-5-11-24(14-16)10-4-8-15-6-2-1-3-7-15/h1-4,6-8,12,16H,5,9-11,13-14H2,(H,21,25)(H3,20,22,23)/b8-4+.
What are the key properties of 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56701819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).