N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine

C11H20N4 — CID 61472134

IUPACN-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCc1ccn[nH]1
InChIInChI=1S/C11H20N4/c1-10(9-15-6-2-3-7-15)12-8-11-4-5-13-14-11/h4-5,10,12H,2-3,6-9H2,1H3,(H,13,14)
InChIKeyNNSIMMIAZNDXCH-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.98
Rot. Bonds5

About N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine

N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61472134) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61472134
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCc1ccn[nH]1
InChIInChI=1S/C11H20N4/c1-10(9-15-6-2-3-7-15)12-8-11-4-5-13-14-11/h4-5,10,12H,2-3,6-9H2,1H3,(H,13,14)
InChIKeyNNSIMMIAZNDXCH-UHFFFAOYSA-N
XLogP0.98
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881889
1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 61285477
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662417
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
CID 115607813
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
1-(azepan-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 131902701
1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43791776
5-[[[(2S)-1-(azepan-1-yl)propan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125443062
N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223769
N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 61472134) is N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NCc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is NNSIMMIAZNDXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(9-15-6-2-3-7-15)12-8-11-4-5-13-14-11/h4-5,10,12H,2-3,6-9H2,1H3,(H,13,14).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61472134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).