N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C18H31N5O2 — CID 71865686

IUPACN-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(Cc2cnn(C)c2)C1)N1CCOCC1C
InChIInChI=1S/C18H31N5O2/c1-14(23-6-7-25-13-15(23)2)9-19-18(24)22-5-4-16(12-22)8-17-10-20-21(3)11-17/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,19,24)
InChIKeySWSOGFMXMOMHJK-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.10
Rot. Bonds5

About N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71865686) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71865686
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(Cc2cnn(C)c2)C1)N1CCOCC1C
InChIInChI=1S/C18H31N5O2/c1-14(23-6-7-25-13-15(23)2)9-19-18(24)22-5-4-16(12-22)8-17-10-20-21(3)11-17/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,19,24)
InChIKeySWSOGFMXMOMHJK-UHFFFAOYSA-N
XLogP1.10
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 163200021
CID 163200021
CID 163200022
CID 163200022
CID 163200023
CID 163200023
CID 122164147
CID 122164147
CID 72866913
CID 72866913
CID 97392012
CID 97392012
CID 97471000
CID 97471000
CID 137951659
CID 137951659
CID 91662775
CID 91662775
CID 124571375
CID 124571375
CID 164629792
CID 164629792
CID 128686364
CID 128686364

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 71865686) is N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is CC(CNC(=O)N1CCC(Cc2cnn(C)c2)C1)N1CCOCC1C.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is SWSOGFMXMOMHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-14(23-6-7-25-13-15(23)2)9-19-18(24)22-5-4-16(12-22)8-17-10-20-21(3)11-17/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,19,24).
What are the key properties of N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71865686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).