5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide

C17H24N4O2 — CID 112829266

IUPAC5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN3CCCCC3)n[nH]2)o1
InChIInChI=1S/C17H24N4O2/c1-12(11-21-8-4-3-5-9-21)18-17(22)15-10-14(19-20-15)16-7-6-13(2)23-16/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyDVQPAYNRHOVMIO-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.58
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 112829266) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID112829266
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN3CCCCC3)n[nH]2)o1
InChIInChI=1S/C17H24N4O2/c1-12(11-21-8-4-3-5-9-21)18-17(22)15-10-14(19-20-15)16-7-6-13(2)23-16/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyDVQPAYNRHOVMIO-UHFFFAOYSA-N
XLogP2.58
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 112828910
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
N-[(2R)-2-(ethylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 120652895
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829216
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74246934
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677392
(E)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]hex-4-enoic acid
CID 120694047
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70739570
N-(2-methyl-3-piperidin-1-ylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55982510

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide (CID 112829266) is 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)CN3CCCCC3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is DVQPAYNRHOVMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(11-21-8-4-3-5-9-21)18-17(22)15-10-14(19-20-15)16-7-6-13(2)23-16/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112829266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).