4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride

C12H25Cl2N5O — CID 120565170

IUPAC4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)Nc1ccn(CCN(C)C)n1.Cl.Cl
InChIInChI=1S/C12H23N5O.2ClH/c1-10(13)4-5-12(18)14-11-6-7-17(15-11)9-8-16(2)3;;/h6-7,10H,4-5,8-9,13H2,1-3H3,(H,14,15,18);2*1H
InChIKeyLQLRNAGWPBMSFL-UHFFFAOYSA-N
MW326.27 g/mol
LogP1.35
Rot. Bonds7

About 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride

4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride (PubChem CID 120565170) has the molecular formula C12H25Cl2N5O and a molecular weight of 326.27 g/mol. Its IUPAC name is 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
PubChem CID120565170
Molecular FormulaC12H25Cl2N5O
Molecular Weight326.27 g/mol
Exact Mass325.14
IUPAC Name4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)Nc1ccn(CCN(C)C)n1.Cl.Cl
InChIInChI=1S/C12H23N5O.2ClH/c1-10(13)4-5-12(18)14-11-6-7-17(15-11)9-8-16(2)3;;/h6-7,10H,4-5,8-9,13H2,1-3H3,(H,14,15,18);2*1H
InChIKeyLQLRNAGWPBMSFL-UHFFFAOYSA-N
XLogP1.35
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119870176
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
CID 119870177
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
tert-butyl N-[(2R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 60622726
3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870150

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride (CID 120565170) is 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride is CC(N)CCC(=O)Nc1ccn(CCN(C)C)n1.Cl.Cl.
What is the InChIKey of 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride?
The InChIKey is LQLRNAGWPBMSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O.2ClH/c1-10(13)4-5-12(18)14-11-6-7-17(15-11)9-8-16(2)3;;/h6-7,10H,4-5,8-9,13H2,1-3H3,(H,14,15,18);2*1H.
What are the key properties of 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride?
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride has a molecular weight of 326.27 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride is sourced from PubChem (CID 120565170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).