1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide

C18H27N5O2 — CID 56798033

IUPAC1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2[nH]ncc2CNCCCN2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C18H27N5O2/c1-13-3-4-16(25-13)17-15(12-21-22-17)11-20-7-2-8-23-9-5-14(6-10-23)18(19)24/h3-4,12,14,20H,2,5-11H2,1H3,(H2,19,24)(H,21,22)
InChIKeyKKQCSZAYEMMOOK-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.66
Rot. Bonds8

About 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide

1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide (PubChem CID 56798033) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide
PubChem CID56798033
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2[nH]ncc2CNCCCN2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C18H27N5O2/c1-13-3-4-16(25-13)17-15(12-21-22-17)11-20-7-2-8-23-9-5-14(6-10-23)18(19)24/h3-4,12,14,20H,2,5-11H2,1H3,(H2,19,24)(H,21,22)
InChIKeyKKQCSZAYEMMOOK-UHFFFAOYSA-N
XLogP1.66
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
CID 86808112
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 75690208
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 86808598
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 5167963
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119122307
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 78881517
N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine
CID 47620873
1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide
CID 71895053

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide (CID 56798033) is 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide is Cc1ccc(-c2[nH]ncc2CNCCCN2CCC(C(N)=O)CC2)o1.
What is the InChIKey of 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide?
The InChIKey is KKQCSZAYEMMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-3-4-16(25-13)17-15(12-21-22-17)11-20-7-2-8-23-9-5-14(6-10-23)18(19)24/h3-4,12,14,20H,2,5-11H2,1H3,(H2,19,24)(H,21,22).
What are the key properties of 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide?
1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 56798033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).