4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine

C10H19N5 — CID 82238130

IUPAC4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
SMILESCCN1CCCC1CNc1cn[nH]c1N
InChIInChI=1S/C10H19N5/c1-2-15-5-3-4-8(15)6-12-9-7-13-14-10(9)11/h7-8,12H,2-6H2,1H3,(H3,11,13,14)
InChIKeyUJXYUKMEXDBUEW-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.89
Rot. Bonds4

About 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine

4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine (PubChem CID 82238130) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
PubChem CID82238130
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
SMILESCCN1CCCC1CNc1cn[nH]c1N
InChIInChI=1S/C10H19N5/c1-2-15-5-3-4-8(15)6-12-9-7-13-14-10(9)11/h7-8,12H,2-6H2,1H3,(H3,11,13,14)
InChIKeyUJXYUKMEXDBUEW-UHFFFAOYSA-N
XLogP0.89
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one
CID 115576964
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
5-N-[(1-ethylpyrrolidin-2-yl)methyl]isoquinoline-5,8-diamine
CID 43448724
2-chloro-1-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 43115512
8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine
CID 43450138
5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one
CID 133417471
5-amino-3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-methylbenzenesulfonamide
CID 79899490
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455539
4-ethoxy-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluorobenzene-1,2-diamine
CID 63594101
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531544

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine (CID 82238130) is 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine is CCN1CCCC1CNc1cn[nH]c1N.
What is the InChIKey of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine?
The InChIKey is UJXYUKMEXDBUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-15-5-3-4-8(15)6-12-9-7-13-14-10(9)11/h7-8,12H,2-6H2,1H3,(H3,11,13,14).
What are the key properties of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine?
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine has a molecular weight of 209.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82238130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).