N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide

C12H22N4O — CID 103006710

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCc1ccnn1C
InChIInChI=1S/C12H22N4O/c1-10(2)13-8-6-12(17)14-7-4-11-5-9-15-16(11)3/h5,9-10,13H,4,6-8H2,1-3H3,(H,14,17)
InChIKeySYXBFICFCMNIIC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.47
Rot. Bonds7

About N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide

N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 103006710) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID103006710
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCc1ccnn1C
InChIInChI=1S/C12H22N4O/c1-10(2)13-8-6-12(17)14-7-4-11-5-9-15-16(11)3/h5,9-10,13H,4,6-8H2,1-3H3,(H,14,17)
InChIKeySYXBFICFCMNIIC-UHFFFAOYSA-N
XLogP0.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667
4-methyl-5-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009666
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009670
2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide (CID 103006710) is N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCCc1ccnn1C.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is SYXBFICFCMNIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)13-8-6-12(17)14-7-4-11-5-9-15-16(11)3/h5,9-10,13H,4,6-8H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide?
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 103006710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).