N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine

C14H19N5O — CID 154771306

IUPACN-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
SMILESc1cc(CNCc2ccn[nH]2)c(O[C@H]2CCNC2)cn1
InChIInChI=1S/C14H19N5O/c1-4-16-10-14(20-13-3-5-15-9-13)11(1)7-17-8-12-2-6-18-19-12/h1-2,4,6,10,13,15,17H,3,5,7-9H2,(H,18,19)/t13-/m0/s1
InChIKeyFSMKHIQAPNWCHY-ZDUSSCGKSA-N
MW273.34 g/mol
LogP0.84
Rot. Bonds6

About N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine

N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine (PubChem CID 154771306) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
PubChem CID154771306
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
SMILESc1cc(CNCc2ccn[nH]2)c(O[C@H]2CCNC2)cn1
InChIInChI=1S/C14H19N5O/c1-4-16-10-14(20-13-3-5-15-9-13)11(1)7-17-8-12-2-6-18-19-12/h1-2,4,6,10,13,15,17H,3,5,7-9H2,(H,18,19)/t13-/m0/s1
InChIKeyFSMKHIQAPNWCHY-ZDUSSCGKSA-N
XLogP0.84
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
CID 167974128
3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 154768069
3-chloro-4-pyrrolidin-3-yloxypyridine
CID 79840362
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
4-(1H-pyrazol-5-ylmethoxy)piperidine
CID 164649778
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 94916818
N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105075716
N-(1H-pyrazol-5-ylmethyl)pyrazin-2-amine
CID 60966310
1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61286252
1-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 43662344

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine (CID 154771306) is N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine is c1cc(CNCc2ccn[nH]2)c(O[C@H]2CCNC2)cn1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine?
The InChIKey is FSMKHIQAPNWCHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-16-10-14(20-13-3-5-15-9-13)11(1)7-17-8-12-2-6-18-19-12/h1-2,4,6,10,13,15,17H,3,5,7-9H2,(H,18,19)/t13-/m0/s1.
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine?
N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 154771306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).