N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide

C18H29N5O2 — CID 72881294

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)c(C)n1
InChIInChI=1S/C18H29N5O2/c1-3-8-23-11-16(13(2)21-23)18(25)20-15-6-9-22(10-7-15)12-17(24)19-14-4-5-14/h11,14-15H,3-10,12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyJTOTTXQNYXJSMO-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.07
Rot. Bonds7

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 72881294) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide
PubChem CID72881294
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)c(C)n1
InChIInChI=1S/C18H29N5O2/c1-3-8-23-11-16(13(2)21-23)18(25)20-15-6-9-22(10-7-15)12-17(24)19-14-4-5-14/h11,14-15H,3-10,12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyJTOTTXQNYXJSMO-UHFFFAOYSA-N
XLogP1.07
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide (CID 72881294) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)c(C)n1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is JTOTTXQNYXJSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-8-23-11-16(13(2)21-23)18(25)20-15-6-9-22(10-7-15)12-17(24)19-14-4-5-14/h11,14-15H,3-10,12H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72881294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).