N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

C15H21ClN4O2 — CID 72899748

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H21ClN4O2/c16-13-9-18-20(10-13)8-5-17-14(21)11-3-6-19(7-4-11)15(22)12-1-2-12/h9-12H,1-8H2,(H,17,21)
InChIKeyARBMZDMIRQDIHJ-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 72899748) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID72899748
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H21ClN4O2/c16-13-9-18-20(10-13)8-5-17-14(21)11-3-6-19(7-4-11)15(22)12-1-2-12/h9-12H,1-8H2,(H,17,21)
InChIKeyARBMZDMIRQDIHJ-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 19582153
1-{1-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]piperidin-3-yl}pyrrolidin-2-one
CID 56865248
cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 56901063
1-(2-amino-2-oxoethyl)-N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 70760807
1-(2-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-2-oxoethyl)-4-piperidinecarboxamide
CID 72893561
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 54869296
2-[(4-chloro-1H-pyrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 56746250
1-({1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70765822
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
(3R*,4S*)-1-[(4-chloro-1H-pyrazol-1-yl)acetyl]-4-cyclopropyl-3-pyrrolidinamine
CID 72878214
N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4-(1-piperidinyl)butanamide
CID 72881466
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72933065

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 72899748) is N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is O=C(NCCn1cc(Cl)cn1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is ARBMZDMIRQDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c16-13-9-18-20(10-13)8-5-17-14(21)11-3-6-19(7-4-11)15(22)12-1-2-12/h9-12H,1-8H2,(H,17,21).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 72899748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).