N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide

C19H29N5O2 — CID 119043848

IUPACN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide
SMILESCc1cc(CN(CC2CN(C)CCO2)C(=O)CCn2cccn2)c(C)[nH]1
InChIInChI=1S/C19H29N5O2/c1-15-11-17(16(2)21-15)12-23(14-18-13-22(3)9-10-26-18)19(25)5-8-24-7-4-6-20-24/h4,6-7,11,18,21H,5,8-10,12-14H2,1-3H3
InChIKeyBSWSAOYJRMFBKR-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.58
Rot. Bonds7

About N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide (PubChem CID 119043848) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide
PubChem CID119043848
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide
SMILESCc1cc(CN(CC2CN(C)CCO2)C(=O)CCn2cccn2)c(C)[nH]1
InChIInChI=1S/C19H29N5O2/c1-15-11-17(16(2)21-15)12-23(14-18-13-22(3)9-10-26-18)19(25)5-8-24-7-4-6-20-24/h4,6-7,11,18,21H,5,8-10,12-14H2,1-3H3
InChIKeyBSWSAOYJRMFBKR-UHFFFAOYSA-N
XLogP1.58
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide (CID 119043848) is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide is Cc1cc(CN(CC2CN(C)CCO2)C(=O)CCn2cccn2)c(C)[nH]1.
What is the InChIKey of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is BSWSAOYJRMFBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-15-11-17(16(2)21-15)12-23(14-18-13-22(3)9-10-26-18)19(25)5-8-24-7-4-6-20-24/h4,6-7,11,18,21H,5,8-10,12-14H2,1-3H3.
What are the key properties of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide?
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 359.47 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 119043848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).